SCHEMBL20160948

SCHEMBL20160948

Cc1ccc(NC2c3ccccc3-c3ccccc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SLC22A12 Q96S37 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NTRK1 P04629 2/20 0.36
NTRK3 Q16288 2/20 0.36
MAPK10 P53779 1/20 0.36
NTRK2 Q16620 1/20 0.35
GAA P10253 1/20 0.35
DHFR P00374 1/20 0.34
MAOB P27338 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16585566 0.78 NTRK1 (0.55) KMT2AMEN1LMNANPSR1NTRK1
SCHEMBL20132409 0.75 MAPK1 (0.48) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL20132408 0.73 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL992947 0.72 KMT2A (0.47) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL9391467 0.69 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL17681355 0.67 HPGD (0.56) SLC22A12KMT2AMEN1POLBATM
SCHEMBL14234945 0.67 NPSR1 (0.43) HDAC1HDAC6SLC22A12NPSR1MAPK10
SCHEMBL22137313 0.67 NPSR1 (0.43) HDAC1HDAC6SLC22A12NPSR1MAPK10
SCHEMBL21946082 0.66 MEN1 (0.42) KMT2AMEN1ATM
SCHEMBL25501705 0.66 KDM4E (0.46) KMT2AMEN1POLBLMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089651-A1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed